#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jng h ARG 5 N 0.00 0.28 -0.52 0.03 0.11 -1.94 -2.34 114.38 110.00 2jng h ARG 5 Ca 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2jng h ARG 5 Cb 0.00 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2jng h ARG 5 CO 0.00 0.46 0.00 0.43 0.10 0.00 0.00 179.97 180.96 2jng n SER 6 N -4.21 2.68 0.17 0.08 7.64 -1.26 -3.74 113.62 114.98 2jng n SER 6 Ca -0.01 -2.15 0.06 0.00 1.01 0.00 0.00 58.87 57.78 2jng n SER 6 Cb 0.32 -0.37 0.17 0.00 -1.01 0.00 0.00 64.21 63.31 2jng n SER 6 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jng h GLU 7 N 2.44 0.00 -7.50 1.43 4.81 -1.81 -3.45 114.58 110.50 2jng h GLU 7 Ca 0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 2jng h GLU 7 Cb 0.79 0.00 0.16 0.00 0.63 0.00 0.00 28.75 30.32 2jng h GLU 7 CO 0.08 0.35 0.26 -0.06 -0.73 0.00 0.00 179.01 178.91 2jng s PHE 8 N -3.19 1.75 0.12 0.92 0.08 -1.25 -4.97 117.98 111.45 2jng s PHE 8 Ca 0.03 0.69 -0.17 0.00 0.12 0.00 0.00 56.93 57.60 2jng s PHE 8 Cb 0.08 -3.50 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 2jng s PHE 8 CO 0.70 -2.91 1.68 0.00 -0.10 0.00 0.00 175.22 174.59 2jng h ALA 9 N -1.88 0.42 0.00 5.36 0.00 -1.92 -3.27 119.26 117.96 2jng h ALA 9 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2jng h ALA 9 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jng h ALA 9 CO 0.50 0.00 -0.33 0.43 0.00 0.00 0.00 179.25 179.85 2jng n SER 10 N -4.74 0.63 0.00 0.00 7.64 -1.26 -5.00 113.62 110.90 2jng n SER 10 Ca -0.01 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2jng n SER 10 Cb 0.12 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 2jng n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jng n GLY 11 N 1.23 1.88 0.31 0.23 0.00 -1.24 -4.70 105.19 102.91 2jng n GLY 11 Ca 0.01 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.12 2jng n GLY 11 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jng h ASN 12 N 0.00 0.00 -0.88 1.61 4.21 -1.93 -0.27 115.58 118.32 2jng h ASN 12 Ca 0.00 0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.69 2jng h ASN 12 Cb 0.00 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.13 2jng h ASN 12 CO 0.00 0.00 0.58 0.74 -1.29 0.00 0.00 177.43 177.46 2jng h THR 13 N 0.00 0.73 0.00 2.81 2.02 -1.91 -0.51 112.91 116.06 2jng h THR 13 Ca 0.03 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2jng h THR 13 Cb 0.17 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2jng h THR 13 CO -0.00 0.09 -0.00 0.22 0.37 0.00 0.00 175.52 176.20 2jng h TYR 14 N 0.48 -0.00 -0.47 3.16 3.20 -1.29 0.77 116.97 122.82 2jng h TYR 14 Ca 0.46 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.39 2jng h TYR 14 Cb 1.02 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2jng h TYR 14 CO -0.00 0.20 0.32 0.00 -1.64 0.00 0.00 178.16 177.04 2jng h ALA 15 N 0.79 1.98 -0.15 1.82 0.00 -1.36 -0.18 119.26 122.16 2jng h ALA 15 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2jng h ALA 15 Cb 0.21 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jng h ALA 15 CO 0.00 -0.07 -0.69 1.25 0.00 0.00 0.00 179.25 179.75 2jng h LEU 16 N 0.36 0.86 0.29 0.00 5.85 -0.77 -2.11 115.31 119.79 2jng h LEU 16 Ca 0.21 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2jng h LEU 16 Cb 0.36 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2jng h LEU 16 CO -0.05 1.35 -0.17 0.22 -0.34 0.00 0.00 178.44 179.44 2jng h TYR 17 N 0.43 -0.45 -0.68 1.25 3.20 0.08 -2.70 116.97 118.09 2jng h TYR 17 Ca -0.04 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 2jng h TYR 17 Cb 1.32 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.72 2jng h TYR 17 CO 0.09 -0.27 0.30 -0.39 -1.64 0.00 0.00 178.16 176.25 2jng h VAL 18 N -0.44 1.23 -0.25 1.81 -1.51 -1.13 -1.80 116.25 114.15 2jng h VAL 18 Ca -0.03 -0.67 0.06 0.00 -1.23 0.00 0.00 66.70 64.83 2jng h VAL 18 Cb 0.36 0.38 -0.06 0.00 -2.13 0.00 0.00 31.29 29.84 2jng h VAL 18 CO 0.03 0.28 -0.17 -0.09 -1.23 0.00 0.00 177.57 176.39 2jng h ARG 19 N 0.97 -0.15 0.00 5.19 2.43 -1.18 0.16 114.38 121.80 2jng h ARG 19 Ca 0.23 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 2jng h ARG 19 Cb 0.14 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2jng h ARG 19 CO -0.03 -0.10 -0.65 -0.44 -1.51 0.00 0.00 179.97 177.25 2jng h ASP 20 N -0.15 0.00 0.48 -3.80 3.32 -1.28 -3.30 116.42 111.68 2jng h ASP 20 Ca 0.14 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.89 2jng h ASP 20 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2jng h ASP 20 CO -0.35 0.65 -1.44 0.71 -1.72 0.00 0.00 179.24 177.09 2jng h THR 21 N 0.00 1.28 -2.89 0.35 1.35 -1.11 -3.42 112.91 108.47 2jng h THR 21 Ca -0.01 -2.87 -0.57 0.00 -0.55 0.00 0.00 66.41 62.41 2jng h THR 21 Cb 1.46 2.86 -0.10 0.00 -1.73 0.00 0.00 68.15 70.65 2jng h THR 21 CO 0.08 0.84 0.85 -0.76 -0.25 0.00 0.00 175.52 176.28 2jng s LEU 22 N -7.12 3.65 0.38 3.87 1.43 0.03 -5.00 118.68 115.91 2jng s LEU 22 Ca -0.08 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 2jng s LEU 22 Cb 0.07 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 2jng s LEU 22 CO 0.87 -1.52 0.67 -1.10 0.23 0.00 0.00 176.35 175.50 2jng s GLN 23 N 4.82 3.62 -0.08 1.70 1.11 -1.26 -4.91 119.66 124.66 2jng s GLN 23 Ca 0.35 0.12 -0.36 0.00 0.01 0.00 0.00 55.36 55.48 2jng s GLN 23 Cb -0.10 -2.52 -0.13 0.00 -1.01 0.00 0.00 33.01 29.25 2jng s GLN 23 CO 0.19 0.03 1.76 -2.30 0.01 0.00 0.00 175.29 174.98 2jng n PRO 24 N -1.50 1.83 0.00 2.91 -0.02 -1.26 -1.11 135.00 135.85 2jng n PRO 24 Ca -0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2jng n PRO 24 Cb 0.55 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2jng n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jng n GLY 25 N 4.05 0.65 3.77 -1.23 0.00 0.48 -5.03 105.19 107.87 2jng n GLY 25 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2jng n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jng s MET 26 N -0.76 4.56 0.37 1.61 -1.94 -0.27 -4.75 119.30 118.12 2jng s MET 26 Ca 0.00 1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 54.93 2jng s MET 26 Cb 0.00 -3.29 -0.10 0.00 2.01 0.00 0.00 34.83 33.45 2jng s MET 26 CO 0.00 0.50 0.86 1.03 -0.01 0.00 0.00 175.02 177.40 2jng s ARG 27 N -0.87 4.19 0.14 2.03 0.52 0.15 -0.54 118.95 124.58 2jng s ARG 27 Ca 0.37 0.98 0.05 0.00 -0.52 0.00 0.00 55.73 56.60 2jng s ARG 27 Cb -0.23 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 2jng s ARG 27 CO 0.26 0.09 -0.11 0.14 0.02 0.00 0.00 175.30 175.70 2jng s VAL 28 N -2.01 1.21 -0.04 3.52 -7.23 0.11 -1.65 120.40 114.31 2jng s VAL 28 Ca 0.57 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 2jng s VAL 28 Cb -0.11 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2jng s VAL 28 CO 0.16 -0.65 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.50 2jng s ARG 29 N -3.42 1.91 -0.50 4.82 3.52 0.17 -1.10 118.95 124.36 2jng s ARG 29 Ca 0.14 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 54.75 2jng s ARG 29 Cb 0.00 -1.69 0.03 0.00 -1.56 0.00 0.00 34.95 31.72 2jng s ARG 29 CO 0.01 0.32 1.20 1.41 -0.81 0.00 0.00 175.30 177.44 2jng s MET 30 N -0.14 3.63 0.00 5.12 -2.45 0.16 0.03 119.30 125.64 2jng s MET 30 Ca -0.01 0.52 0.26 0.00 -1.25 0.00 0.00 55.69 55.21 2jng s MET 30 Cb -0.11 -3.96 0.62 0.00 1.25 0.00 0.00 34.83 32.63 2jng s MET 30 CO 0.02 -1.52 1.48 -0.11 1.05 0.00 0.00 175.02 175.94 2jng n LEU 31 N 8.22 0.93 -4.02 4.11 7.94 -0.62 -0.69 117.00 132.86 2jng n LEU 31 Ca 0.12 -0.22 -0.10 0.00 -1.11 0.00 0.00 56.01 54.69 2jng n LEU 31 Cb 0.49 -0.15 -0.11 0.00 0.53 0.00 0.00 43.42 44.18 2jng n LEU 31 CO 0.72 0.18 -0.38 -0.62 -1.11 0.00 0.00 177.39 176.18 2jng s ASP 32 N -2.65 0.50 -0.12 1.96 -1.08 -1.23 -4.87 116.67 109.17 2jng s ASP 32 Ca 0.20 -0.55 -0.24 0.00 -0.52 0.00 0.00 52.55 51.44 2jng s ASP 32 Cb 0.19 0.08 -0.03 0.00 -1.46 0.00 0.00 42.92 41.70 2jng s ASP 32 CO 0.58 -0.28 0.73 1.51 0.52 0.00 0.00 175.17 178.23 2jng s ASP 33 N -1.60 6.92 -0.29 -0.34 -4.77 -1.26 -3.46 116.67 111.87 2jng s ASP 33 Ca -0.12 1.12 0.02 0.00 -3.30 0.00 0.00 52.55 50.26 2jng s ASP 33 Cb -0.09 -2.41 0.16 0.00 -1.09 0.00 0.00 42.92 39.48 2jng s ASP 33 CO -0.01 -0.23 0.39 -0.47 0.70 0.00 0.00 175.17 175.55 2jng s TYR 34 N 1.42 -0.91 0.00 2.11 5.04 0.74 -4.94 117.35 120.82 2jng s TYR 34 Ca 0.36 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 2jng s TYR 34 Cb -0.17 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.93 2jng s TYR 34 CO 0.15 -0.98 0.00 0.39 -1.34 0.00 0.00 175.55 173.77 2jng n GLU 35 N 5.31 0.00 0.19 4.97 1.02 -1.26 -1.49 120.64 129.38 2jng n GLU 35 Ca 0.01 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.21 2jng n GLU 35 Cb 0.49 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.25 2jng n GLU 35 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jng h GLU 36 N 0.00 0.00 -6.25 3.49 4.39 -2.02 -3.44 114.58 110.76 2jng h GLU 36 Ca 0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 2jng h GLU 36 Cb 0.00 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 2jng h GLU 36 CO 0.00 0.36 -0.62 0.42 -1.16 0.00 0.00 179.01 178.01 2jng s ILE 37 N -3.62 4.31 0.17 3.13 -1.09 -0.56 -5.10 121.20 118.44 2jng s ILE 37 Ca 0.00 -0.95 0.03 0.00 -2.23 0.00 0.00 60.65 57.50 2jng s ILE 37 Cb 0.11 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 2jng s ILE 37 CO 0.68 0.05 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.96 2jng s SER 38 N -2.57 1.56 0.17 3.58 0.01 -1.26 -0.18 113.70 115.00 2jng s SER 38 Ca 0.28 -1.11 -0.31 0.00 1.31 0.00 0.00 55.95 56.12 2jng s SER 38 Cb -0.11 0.04 -0.11 0.00 0.21 0.00 0.00 66.02 66.05 2jng s SER 38 CO 0.21 -0.46 1.76 0.00 0.41 0.00 0.00 173.24 175.16 2jng s ALA 39 N -3.48 3.85 0.00 1.44 0.00 -1.22 -1.84 121.76 120.50 2jng s ALA 39 Ca 0.21 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2jng s ALA 39 Cb 0.05 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2jng s ALA 39 CO 0.03 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2jng n GLY 40 N 4.08 2.48 3.77 0.00 0.00 0.14 -5.00 105.19 110.66 2jng n GLY 40 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2jng n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jng s ASP 41 N -1.49 6.60 0.14 1.61 1.01 -0.77 -4.78 116.67 118.99 2jng s ASP 41 Ca 0.00 2.83 0.07 0.00 0.71 0.00 0.00 52.55 56.16 2jng s ASP 41 Cb 0.00 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 2jng s ASP 41 CO 0.00 -0.67 -0.15 -1.61 0.21 0.00 0.00 175.17 172.95 2jng s GLU 42 N -1.87 1.11 0.00 8.23 2.02 -1.26 0.36 118.70 127.28 2jng s GLU 42 Ca 0.51 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2jng s GLU 42 Cb -0.42 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 32.79 2jng s GLU 42 CO 0.57 0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.45 2jng n GLY 43 N 0.39 1.86 3.37 -1.39 0.00 -0.25 -2.06 105.19 107.10 2jng n GLY 43 Ca -0.14 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 2jng n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jng s GLU 44 N -1.56 1.60 -0.37 1.61 2.12 0.18 0.07 118.70 122.36 2jng s GLU 44 Ca 0.00 -1.23 -0.24 0.00 0.36 0.00 0.00 54.97 53.86 2jng s GLU 44 Cb 0.00 -1.94 0.01 0.00 0.26 0.00 0.00 34.13 32.46 2jng s GLU 44 CO 0.00 0.48 0.83 0.12 -0.54 0.00 0.00 175.26 176.16 2jng s PHE 45 N -0.94 3.09 -0.15 5.30 2.19 0.30 -0.32 117.98 127.45 2jng s PHE 45 Ca 0.13 0.61 -0.11 0.00 0.33 0.00 0.00 56.93 57.89 2jng s PHE 45 Cb -0.10 -3.51 -0.06 0.00 -1.31 0.00 0.00 43.02 38.04 2jng s PHE 45 CO 0.04 -0.78 -0.05 0.00 1.83 0.00 0.00 175.22 176.26 2jng h ARG 46 N 8.51 0.00 -3.05 10.12 2.47 -1.69 0.14 114.38 130.87 2jng h ARG 46 Ca -0.24 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.41 2jng h ARG 46 Cb 1.09 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.25 2jng h ARG 46 CO 0.94 0.22 -0.08 -0.65 0.56 0.00 0.00 179.97 180.95 2jng s GLN 47 N -2.18 0.95 0.15 0.04 -0.21 -0.83 -4.65 119.66 112.94 2jng s GLN 47 Ca -0.16 -0.40 0.08 0.00 0.02 0.00 0.00 55.36 54.91 2jng s GLN 47 Cb 0.02 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.42 2jng s GLN 47 CO 0.28 -0.34 -0.18 -1.54 -2.12 0.00 0.00 175.29 171.39 2jng s SER 48 N -2.11 2.57 0.46 5.90 1.04 -1.26 -0.59 113.70 119.70 2jng s SER 48 Ca -0.04 -0.83 -0.15 0.00 0.48 0.00 0.00 55.95 55.42 2jng s SER 48 Cb -0.00 -0.14 -0.08 0.00 0.10 0.00 0.00 66.02 65.90 2jng s SER 48 CO -0.04 -0.03 0.89 0.20 0.98 0.00 0.00 173.24 175.24 2jng s ASN 49 N -2.51 6.62 0.37 7.02 0.02 -1.22 -4.95 114.94 120.29 2jng s ASN 49 Ca 0.13 1.41 0.20 0.00 -1.02 0.00 0.00 52.86 53.58 2jng s ASN 49 Cb -0.06 -2.44 0.46 0.00 0.02 0.00 0.00 41.25 39.23 2jng s ASN 49 CO 0.06 -0.48 1.63 -0.55 0.02 0.00 0.00 177.10 177.77 2jng h ASN 50 N 1.18 0.00 0.00 -1.22 7.08 -2.01 -3.39 115.58 117.22 2jng h ASN 50 Ca -0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 2jng h ASN 50 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2jng h ASN 50 CO 0.62 0.32 0.00 0.61 -2.08 0.00 0.00 177.43 176.90 2jng n GLY 51 N 0.76 0.70 3.54 9.14 0.00 -1.26 -5.13 105.19 112.93 2jng n GLY 51 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2jng n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jng s VAL 52 N 0.00 2.94 0.27 1.61 -7.23 -1.26 -5.06 120.40 111.67 2jng s VAL 52 Ca 0.00 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2jng s VAL 52 Cb 0.00 -2.52 0.26 0.00 0.56 0.00 0.00 36.38 34.68 2jng s VAL 52 CO 0.00 -0.29 1.73 1.55 -0.31 0.00 0.00 175.10 177.78 2jng h PRO 53 N 2.40 0.51 -6.43 4.82 0.13 -1.94 -3.43 132.00 128.06 2jng h PRO 53 Ca -0.44 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 2jng h PRO 53 Cb 1.24 -0.12 0.04 0.00 0.13 0.00 0.00 31.00 32.30 2jng h PRO 53 CO 0.57 0.34 0.93 -0.35 -0.23 0.00 0.00 178.00 179.26 2jng n PRO 54 N -4.94 2.23 -4.54 1.56 -0.04 -1.26 -3.16 135.00 124.85 2jng n PRO 54 Ca 0.19 0.81 -0.21 0.00 -0.04 0.00 0.00 63.50 64.25 2jng n PRO 54 Cb 0.53 -2.62 -0.15 0.00 -0.04 0.00 0.00 33.50 31.22 2jng n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jng s VAL 55 N 2.11 1.00 -0.48 0.52 0.11 0.28 -3.37 120.40 120.58 2jng s VAL 55 Ca 0.84 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 59.10 2jng s VAL 55 Cb -0.66 -0.84 0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2jng s VAL 55 CO 0.42 0.25 0.62 -1.58 -3.33 0.00 0.00 175.10 171.48 2jng s GLN 56 N -0.39 3.17 -0.07 1.54 0.74 0.24 -0.95 119.66 123.94 2jng s GLN 56 Ca 0.04 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.81 2jng s GLN 56 Cb -0.05 -4.03 -0.00 0.00 1.10 0.00 0.00 33.01 30.02 2jng s GLN 56 CO -0.00 -1.12 -0.20 0.08 -0.55 0.00 0.00 175.29 173.49 2jng s VAL 57 N 2.68 1.72 -0.39 1.34 1.01 -0.46 -1.84 120.40 124.45 2jng s VAL 57 Ca 0.18 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2jng s VAL 57 Cb -0.17 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2jng s VAL 57 CO 0.15 0.48 0.66 0.12 0.00 0.00 0.00 175.10 176.51 2jng s PHE 58 N 0.19 3.10 -0.29 5.22 5.36 0.56 -0.45 117.98 131.67 2jng s PHE 58 Ca -0.10 0.22 -0.19 0.00 -0.96 0.00 0.00 56.93 55.90 2jng s PHE 58 Cb -0.15 -3.28 -0.02 0.00 -0.34 0.00 0.00 43.02 39.24 2jng s PHE 58 CO 0.05 -0.75 0.59 -1.58 -1.46 0.00 0.00 175.22 172.07 2jng s TRP 59 N 2.83 3.24 0.20 10.12 0.52 -0.40 0.50 118.94 135.96 2jng s TRP 59 Ca 0.25 0.61 -0.02 0.00 0.02 0.00 0.00 56.10 56.95 2jng s TRP 59 Cb -0.14 -2.88 0.16 0.00 -1.15 0.00 0.00 33.47 29.45 2jng s TRP 59 CO 0.17 -0.40 1.54 0.93 0.02 0.00 0.00 176.95 179.21 2jng h GLU 60 N 8.11 0.54 -0.75 4.98 5.08 -1.71 0.31 114.58 131.14 2jng h GLU 60 Ca -0.27 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 57.73 2jng h GLU 60 Cb 1.13 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2jng h GLU 60 CO 0.77 0.92 0.30 0.66 -1.00 0.00 0.00 179.01 180.66 2jng h SER 61 N 0.43 1.03 0.19 1.42 4.64 -1.92 -3.05 113.55 116.29 2jng h SER 61 Ca 0.02 -0.15 -0.35 0.00 -0.47 0.00 0.00 61.79 60.83 2jng h SER 61 Cb 1.03 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2jng h SER 61 CO 0.09 0.91 -1.81 0.74 -0.87 0.00 0.00 176.83 175.90 2jng h THR 62 N 1.09 0.86 0.00 2.95 2.02 -1.86 -3.49 112.91 114.48 2jng h THR 62 Ca 0.25 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.95 2jng h THR 62 Cb 0.20 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jng h THR 62 CO -0.02 0.87 0.00 0.61 0.37 0.00 0.00 175.52 177.34 2jng n GLY 63 N 1.89 1.20 3.44 2.16 0.00 0.11 -5.08 105.19 108.90 2jng n GLY 63 Ca -0.26 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2jng n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jng s ARG 64 N -1.26 1.28 0.21 1.61 1.70 -1.10 -4.99 118.95 116.40 2jng s ARG 64 Ca 0.00 -1.04 -0.09 0.00 -0.47 0.00 0.00 55.73 54.13 2jng s ARG 64 Cb 0.00 0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 34.76 2jng s ARG 64 CO 0.00 -0.51 0.53 0.99 -1.08 0.00 0.00 175.30 175.23 2jng s THR 65 N -3.93 4.95 -0.06 4.99 2.01 -1.26 -1.27 115.64 121.07 2jng s THR 65 Ca 0.14 0.45 -0.13 0.00 0.31 0.00 0.00 61.69 62.46 2jng s THR 65 Cb 0.01 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2jng s THR 65 CO -0.01 -0.03 0.30 -0.47 -0.69 0.00 0.00 174.62 173.72 2jng s TYR 66 N -1.77 -0.24 -0.35 4.92 5.04 0.40 -4.93 117.35 120.42 2jng s TYR 66 Ca 0.46 0.48 -0.17 0.00 -2.44 0.00 0.00 57.07 55.40 2jng s TYR 66 Cb -0.12 0.10 -0.00 0.00 0.35 0.00 0.00 41.96 42.29 2jng s TYR 66 CO 0.21 -0.29 0.47 -1.58 -1.34 0.00 0.00 175.55 173.02 2jng s TRP 67 N -0.72 3.19 0.50 4.97 0.51 -1.25 -1.36 118.94 124.78 2jng s TRP 67 Ca -0.08 0.10 0.06 0.00 -2.12 0.00 0.00 56.10 54.05 2jng s TRP 67 Cb -0.04 -2.86 0.01 0.00 -0.81 0.00 0.00 33.47 29.77 2jng s TRP 67 CO 0.03 -0.52 0.35 0.08 -0.51 0.00 0.00 176.95 176.38 2jng s VAL 68 N 2.28 1.88 0.04 4.03 1.01 -0.13 -4.79 120.40 124.72 2jng s VAL 68 Ca 0.17 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.65 2jng s VAL 68 Cb -0.16 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2jng s VAL 68 CO 0.13 0.00 -0.00 -1.00 0.00 0.00 0.00 175.10 174.23 2jng s HIS 69 N -2.71 3.03 0.26 5.22 0.09 -1.26 -0.56 115.29 119.38 2jng s HIS 69 Ca 0.36 0.03 -0.02 0.00 -0.00 0.00 0.00 55.06 55.43 2jng s HIS 69 Cb -0.01 -1.61 0.44 0.00 -0.00 0.00 0.00 32.58 31.40 2jng s HIS 69 CO 0.22 0.46 1.85 -1.49 -0.00 0.00 0.00 174.74 175.78 2jng h TRP 70 N 3.98 1.08 0.00 1.40 4.06 -1.90 -2.75 115.95 121.82 2jng h TRP 70 Ca -0.48 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2jng h TRP 70 Cb 1.17 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 2jng h TRP 70 CO 0.61 0.49 0.00 -2.39 -3.56 0.00 0.00 178.44 173.59 2jng n HIS 71 N -4.61 0.00 -0.66 0.49 1.44 -1.26 -1.18 115.22 109.43 2jng n HIS 71 Ca 0.16 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.94 2jng n HIS 71 Cb 0.26 -0.39 0.16 0.00 0.12 0.00 0.00 29.99 30.14 2jng n HIS 71 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jng n MET 72 N -1.39 2.50 -3.79 -1.40 0.00 -1.04 -4.90 117.12 107.09 2jng n MET 72 Ca 0.04 -2.37 -0.35 0.00 0.00 0.00 0.00 57.70 55.02 2jng n MET 72 Cb 0.12 -1.48 -0.09 0.00 0.00 0.00 0.00 33.22 31.77 2jng n MET 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2jng s LEU 73 N -2.13 4.06 -0.13 3.17 1.43 -0.33 -1.59 118.68 123.17 2jng s LEU 73 Ca 0.28 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2jng s LEU 73 Cb 0.22 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2jng s LEU 73 CO 0.07 0.15 0.00 -0.70 0.23 0.00 0.00 176.35 176.10 2jng s GLU 74 N 0.54 3.39 -0.11 1.70 2.56 0.10 -4.88 118.70 122.01 2jng s GLU 74 Ca 0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 54.97 54.47 2jng s GLU 74 Cb -0.12 -2.91 -0.05 0.00 2.00 0.00 0.00 34.13 33.05 2jng s GLU 74 CO 0.00 0.48 0.30 0.96 -0.56 0.00 0.00 175.26 176.44 2jng s ILE 75 N -0.25 5.27 -0.86 -3.70 -4.36 -1.26 0.44 121.20 116.47 2jng s ILE 75 Ca 0.06 0.57 0.07 0.00 -0.26 0.00 0.00 60.65 61.09 2jng s ILE 75 Cb -0.12 -3.61 0.08 0.00 1.25 0.00 0.00 42.46 40.05 2jng s ILE 75 CO 0.02 0.48 0.78 0.18 0.24 0.00 0.00 174.94 176.65 2jng n LEU 76 N 2.82 1.73 0.00 0.37 4.77 -0.66 -4.87 117.00 121.16 2jng n LEU 76 Ca -0.14 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 2jng n LEU 76 Cb 0.53 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2jng n LEU 76 CO 0.38 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2jng n GLY 77 N 0.37 3.10 0.08 -0.72 0.00 -1.20 -2.72 105.19 104.10 2jng n GLY 77 Ca 0.05 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2jng n GLY 77 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jng n PHE 78 N 9.56 0.00 -1.51 1.61 3.72 -1.26 0.31 117.46 129.90 2jng n PHE 78 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 2jng n PHE 78 Cb 0.00 -0.60 -0.08 0.00 -0.94 0.00 0.00 39.48 37.86 2jng n PHE 78 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jng n GLU 79 N -2.88 -1.44 0.00 -1.08 -0.58 -1.10 -4.64 120.64 108.92 2jng n GLU 79 Ca -0.27 1.06 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 2jng n GLU 79 Cb 0.81 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 2jng n GLU 79 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74